N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide

C17H21N3O2S — CID 56825683

IUPACN-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(C2CC2)C2CCCc3ccccc32)cn1
InChIInChI=1S/C17H21N3O2S/c1-19-12-15(11-18-19)23(21,22)20(14-9-10-14)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,11-12,14,17H,4,6,8-10H2,1H3
InChIKeyZWHGBDHDFOIHTB-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.65
Rot. Bonds4

About N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide

N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide (PubChem CID 56825683) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
PubChem CID56825683
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(C2CC2)C2CCCc3ccccc32)cn1
InChIInChI=1S/C17H21N3O2S/c1-19-12-15(11-18-19)23(21,22)20(14-9-10-14)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,11-12,14,17H,4,6,8-10H2,1H3
InChIKeyZWHGBDHDFOIHTB-UHFFFAOYSA-N
XLogP2.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide (CID 56825683) is N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(C2CC2)C2CCCc3ccccc32)cn1.
What is the InChIKey of N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
The InChIKey is ZWHGBDHDFOIHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19-12-15(11-18-19)23(21,22)20(14-9-10-14)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,11-12,14,17H,4,6,8-10H2,1H3.
What are the key properties of N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 56825683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).